7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride

C12H10FNO3 — CID 14729871

IUPAC7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride
SMILESCN(C)c1ccc2cc(C(=O)F)c(=O)oc2c1
InChIInChI=1S/C12H10FNO3/c1-14(2)8-4-3-7-5-9(11(13)15)12(16)17-10(7)6-8/h3-6H,1-2H3
InChIKeyOIFMLWACRACLTJ-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.97
Rot. Bonds2

About 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride

7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride (PubChem CID 14729871) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride.

Molecular Properties

Compound Name7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride
PubChem CID14729871
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride
SMILESCN(C)c1ccc2cc(C(=O)F)c(=O)oc2c1
InChIInChI=1S/C12H10FNO3/c1-14(2)8-4-3-7-5-9(11(13)15)12(16)17-10(7)6-8/h3-6H,1-2H3
InChIKeyOIFMLWACRACLTJ-UHFFFAOYSA-N
XLogP1.97
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[7-(dimethylamino)-2-oxochromen-3-yl]-2-oxoacetate
CID 172715050
7-(diethylamino)-2-oxochromene-3-carboxylic acid
CID 87060588
CID 88942747
CID 88942747
7-(diethylamino)-2-oxochromene-3-carbonyl iodide
CID 163528355
3-acetyl-7-[2-fluoroethyl(methyl)amino]chromen-2-one
CID 86046729
7-(dimethylamino)-3-phenylchromen-2-one
CID 10611726
7-(dipropylamino)-N,2-dioxochromene-3-carboxamide
CID 118983417
7-(diethylamino)-N-(2-methoxyethyl)-N-methyl-2-oxochromene-3-carboxamide
CID 54453751
7-[(2-fluorophenyl)methyl-methylamino]-2-oxochromene-3-carboxylic acid
CID 121295069
4-[7-(diethylamino)-2-oxochromene-3-carbonyl]benzoic acid
CID 23510542
7-(dimethylamino)-3-pyrimidin-2-ylchromen-2-one
CID 58667740
7-(diethylamino)-3-(dimethylamino)chromen-2-one
CID 71412900

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride?
The IUPAC name of 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride (CID 14729871) is 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride.
What is the SMILES notation for 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride?
The canonical SMILES for 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride is CN(C)c1ccc2cc(C(=O)F)c(=O)oc2c1.
What is the InChIKey of 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride?
The InChIKey is OIFMLWACRACLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-14(2)8-4-3-7-5-9(11(13)15)12(16)17-10(7)6-8/h3-6H,1-2H3.
What are the key properties of 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride?
7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride has a molecular weight of 235.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-2-oxochromene-3-carbonyl fluoride is sourced from PubChem (CID 14729871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).